1-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-[2-(4-methoxyphenyl)pyrrolidino]-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-23-12-14-24(15-13-23)32(29,30)19-9-10-21(22(16-19)26(27)28)25-11-3-4-20(25)17-5-7-18(31-2)8-6-17/h5-10,16,20H,3-4,11-15H2,1-2H3